6JWN
Crystal structure of the SPRY domain of SPSB2 in complex with cR9, a cyclic peptide inhibitor of SPSB-iNOS interaction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 1 |
| Unit cell lengths | 32.411, 46.386, 61.177 |
| Unit cell angles | 87.72, 75.01, 89.92 |
Refinement procedure
| Resolution | 59.050 - 1.610 |
| R-factor | 0.18598 |
| Rwork | 0.185 |
| R-free | 0.20506 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.646 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.050 | 1.640 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Number of reflections | 42845 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 96.3 | |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 0.02M Citric acid, 0.08M Bis-Tris propane pH7.6, 14%(w/v0 Polyethylene glycol 3350 |
